methyl 4-(4-bromophenyl)-2-[[(E)-2-cyano-3-(4-ethoxyphenyl)prop-2-enoyl]amino]-5-methyl-thiophene-3-carboxylate

Systemtic Name: methyl 4-(4-bromophenyl)-2-[[(E)-2-cyano-3-(4-ethoxyphenyl)prop-2-enoyl]amino]-5-methyl-thiophene-3-carboxylate Openeye Name: methyl 4-(4-bromophenyl)-2-[[(E)-2-cyano-3-(4-ethoxyphenyl)prop-2-enoyl]amino]-5-methyl-thiophene-3-carboxylate CAS Name: 4-(4-bromophenyl)-2-[[(E)-2-cyano-3-(4-ethoxyphenyl)-1-oxoprop-2-enyl]amino]-5-methyl-3-thiophenecarboxylic acid methyl ester IUPAC Name: methyl 4-(4-bromophenyl)-2-[[(E)-2-cyano-3-(4-ethoxyphenyl)prop-2-enoyl]amino]-5-methylthiophene-3-carboxylate Traditional Name: 4-(4-bromophenyl)-2-[[(E)-2-cyano-3-p-phenetyl-acryloyl]amino]-5-methyl-thiophene-3-carboxylic acid methyl ester Formula: C25H21BrN2O4S MolecularWeight: 525.41424

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Descriptors Computed from Structure

Canonical SMILES:

CCOC1=CC=C(C=C1)C=C(C#N)C(=O)NC2=C(C(=C(S2)C)C3=CC=C(C=C3)Br)C(=O)OC

Isomeric SMILES

CCOC1=CC=C(C=C1)/C=C(\C#N)/C(=O)NC2=C(C(=C(S2)C)C3=CC=C(C=C3)Br)C(=O)OC

InChI

InChI=1S/C25H21BrN2O4S/c1-4-32-20-11-5-16(6-12-20)13-18(14-27)23(29)28-24-22(25(30)31-3)21(15(2)33-24)17-7-9-19(26)10-8-17/h5-13H,4H2,1-3H3,(H,28,29)/b18-13+